Quoting shahrbanoo karbalaee <[EMAIL PROTECTED]>: > Dear Mark > I want to calculate distance ca_ca from the third residue to the > ninth residue during MD .but i dont know identify in command number of > residue.
Create an index group with those elements in it. > g_dist -f name.xtc -s topol.tpr -b 0 -e 20 -dt 0.002 > > and the second, can i get average distance by a command. Use g_analyze on the output of g_dist. -Justin > > thanks for your advice > -- > sh-karbalaee > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > ======================================== Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ ======================================== _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
